tanshinone IIA [Ligand Id: 13771] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL187266 (Tanshinone IIA)
  • acetylcholinesterase (Yt blood group)/Acetylcholinesterase in Human [ChEMBL: CHEMBL220] [GtoPdb: 2465] [UniProtKB: P22303]
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  • carboxylesterase 1/Acyl coenzyme A:cholesterol acyltransferase in Human [ChEMBL: CHEMBL2265] [GtoPdb: 2592] [UniProtKB: P23141]
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  • aldo-keto reductase family 1 member B/Aldose reductase in Human [ChEMBL: CHEMBL1900] [GtoPdb: 2768] [UniProtKB: P15121]
  • aldo-keto reductase family 1 member B/Aldose reductase in Rat [ChEMBL: CHEMBL2622] [GtoPdb: 2768] [UniProtKB: P07943]
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  • carboxylesterase 2/Carboxylesterase 2 in Human [ChEMBL: CHEMBL3180] [GtoPdb: 3298] [UniProtKB: O00748]
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  • DNA-(apurinic or apyrimidinic site) lyase in Human [ChEMBL: CHEMBL5619] [UniProtKB: P27695]
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  • embryonic ectoderm development/enhancer of zeste 2 polycomb repressive complex 2 subunit/EZH2/SUZ12/EED complex in Human [ChEMBL: CHEMBL3137286] [GtoPdb: 24872654] [UniProtKB: O75530Q15022Q15910]
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  • indoleamine 2,3-dioxygenase 1/Indoleamine 2,3-dioxygenase in Human [ChEMBL: CHEMBL4685] [GtoPdb: 2829] [UniProtKB: P14902]
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  • monoacylglycerol lipase/Monoglyceride lipase in Human [ChEMBL: CHEMBL4191] [GtoPdb: 1399] [UniProtKB: Q99685]
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  • Peroxisome proliferator-activated receptor-γ/Peroxisome proliferator-activated receptor gamma in Human [ChEMBL: CHEMBL235] [GtoPdb: 595] [UniProtKB: P37231]
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  • Protein-tyrosine phosphatase 1C in Human [ChEMBL: CHEMBL3166] [UniProtKB: P29350]
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  • protein tyrosine phosphatase non-receptor type 11/Protein-tyrosine phosphatase 2C in Human [ChEMBL: CHEMBL3864] [GtoPdb: 3203] [UniProtKB: Q06124]
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  • CoV Replicase polyprotein 1ab/CoV RNA-dependent RNA polymerase/CoV Non-structural protein 15/CoV Non-structural protein 13/Replicase polyprotein 1ab in Severe acute respiratory syndrome coronavirus 2 [ChEMBL: CHEMBL4523582] [GtoPdb: 3125313932063261] [UniProtKB: P0DTD1]
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  • CoV 3C-like (main) protease/CoV Replicase polyprotein 1a/SARS coronavirus 3C-like proteinase in Severe acute respiratory syndrome-related coronavirus [ChEMBL: CHEMBL3927] [GtoPdb: 31113124] [UniProtKB: P0C6U8]
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  • Telomerase reverse transcriptase in Human [ChEMBL: CHEMBL2916] [UniProtKB: O14746]
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  • tryptophan 2,3-dioxygenase/Tryptophan 2,3-dioxygenase in Human [ChEMBL: CHEMBL2140] [GtoPdb: 2887] [UniProtKB: P48775]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
acetylcholinesterase (Yt blood group)/Acetylcholinesterase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL220] [GtoPdb: 2465] [UniProtKB: P22303]
ChEMBL Inhibition of human BChE using butyrylthiocholine as substrate by spectrophotometric assay B 4 pKi >100000 nM Ki J Nat Prod (2013) 76: 36-44 [PMID:23286284]
ChEMBL Inhibition of human AChE using acetylthiocholine as substrate by spectrophotometric assay B 4 pKi >100000 nM Ki J Nat Prod (2013) 76: 36-44 [PMID:23286284]
carboxylesterase 1/Acyl coenzyme A:cholesterol acyltransferase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2265] [GtoPdb: 2592] [UniProtKB: P23141]
ChEMBL Inhibition of human CE1 using o-NPA as substrate by spectrophotometric assay B 5.16 pKi 6890 nM Ki J Nat Prod (2013) 76: 36-44 [PMID:23286284]
aldo-keto reductase family 1 member B/Aldose reductase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1900] [GtoPdb: 2768] [UniProtKB: P15121]
ChEMBL Inhibition of human recombinant aldose reductase using D-glyceraldehyde as substrate preincubated for 10 mins before substrate addition measured for every 10 secs for 50 mins by spectrophotometry B 5.06 pIC50 8690 nM IC50 Bioorg Med Chem (2012) 20: 1251-1258 [PMID:22261024]
aldo-keto reductase family 1 member B/Aldose reductase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2622] [GtoPdb: 2768] [UniProtKB: P07943]
ChEMBL Inhibition of Rattus norvegicus (rat) lens aldose reductase B 5.94 pIC50 1148.15 nM IC50 Med Chem Res (2012) 21: 1665-1676
ChEMBL Inhibition of rat aldose reductase B 5.94 pIC50 1140 nM IC50 Bioorg Med Chem (2012) 20: 1251-1258 [PMID:22261024]
ChEMBL Inhibition of rat lens aldose reductase B 5.94 pIC50 1140 nM IC50 Bioorg Med Chem (2012) 20: 1251-1258 [PMID:22261024]
carboxylesterase 2/Carboxylesterase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3180] [GtoPdb: 3298] [UniProtKB: O00748]
ChEMBL Inhibition of human iCE using o-NPA as substrate by spectrophotometric assay B 5.61 pKi 2450 nM Ki J Nat Prod (2013) 76: 36-44 [PMID:23286284]
ChEMBL Inhibition of human iCE using CPT-11 as substrate by spectrophotometric assay B 7.16 pKi 69.4 nM Ki J Nat Prod (2013) 76: 36-44 [PMID:23286284]
GtoPdb Inhibition of human CES2 using CPT-11 as substrate - 7.16 pKi 69.4 nM Ki J Nat Prod (2013) 76: 36-44 [PMID:23286284]
DNA-(apurinic or apyrimidinic site) lyase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5619] [UniProtKB: P27695]
ChEMBL Binding affinity to full length human APE1 expressed in Escherichia coli BL21/DE3 B 9.06 pKd 0.88 nM Kd Bioorg Med Chem (2017) 25: 2531-2544 [PMID:28161249]
embryonic ectoderm development/enhancer of zeste 2 polycomb repressive complex 2 subunit/EZH2/SUZ12/EED complex in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL3137286] [GtoPdb: 24872654] [UniProtKB: O75530Q15022Q15910]
ChEMBL Inhibition of EZH2 histone methyltransferase activity in EZH2/SUZ12/EED protein complex (unknown origin) using histone H3 peptide/S-adenosylmethionine as substrate after 2 hrs by TR-FRET assay B 4.55 pIC50 28100 nM IC50 Bioorg Med Chem Lett (2014) 24: 2486-2492 [PMID:24767850]
indoleamine 2,3-dioxygenase 1/Indoleamine 2,3-dioxygenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4685] [GtoPdb: 2829] [UniProtKB: P14902]
ChEMBL Inhibition of recombinant human IDO1 assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate and measured after 15 mins B 5 pIC50 >10000 nM IC50 Eur J Med Chem (2022) 235: 114294-114294 [PMID:35358772]
monoacylglycerol lipase/Monoglyceride lipase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4191] [GtoPdb: 1399] [UniProtKB: Q99685]
ChEMBL Inhibition of MAGL (unknown origin) after 10 mins B 4.32 pIC50 48000 nM IC50 Medchemcomm (2014) 5: 1528-1532
Peroxisome proliferator-activated receptor-γ/Peroxisome proliferator-activated receptor gamma in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL235] [GtoPdb: 595] [UniProtKB: P37231]
ChEMBL Binding affinity to PPARgamma (unknown origin) B 5.59 pKi 2560 nM Ki Eur J Med Chem (2021) 221: 113535-113535 [PMID:33992930]
Protease in Human immunodeficiency virus 1 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2366517] [UniProtKB: Q9YQ12]
ChEMBL Inhibition of Human immunodeficiency virus 1 protease preincubated for 10 mins by FRET assay B 4.23 pIC50 59200 nM IC50 Bioorg Med Chem (2012) 20: 5928-5935 [PMID:22884354]
Protein-tyrosine phosphatase 1C in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3166] [UniProtKB: P29350]
ChEMBL Inhibition of GST-tagged SHP1 PTP domain (unknown origin) using phospho-EGFR Asp-Ala-Asp-Glu-Tyr[PO3H2]-Leu-Ile-Pro-Gln-Gln-Gly as substrate preincubated for 30 mins before substrate addition measured after 30 mins by phosphatase activity assay B 5.67 pIC50 2140 nM IC50 J Med Chem (2013) 56: 7212-7221 [PMID:23957426]
protein tyrosine phosphatase non-receptor type 11/Protein-tyrosine phosphatase 2C in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3864] [GtoPdb: 3203] [UniProtKB: Q06124]
ChEMBL Inhibition of GST-tagged SHP2 PTP domain (unknown origin) using phospho-EGFR Asp-Ala-Asp-Glu-Tyr[PO3H2]-Leu-Ile-Pro-Gln-Gln-Gly as substrate preincubated for 30 mins before substrate addition measured after 30 mins by phosphatase activity assay B 5.59 pIC50 2590 nM IC50 J Med Chem (2013) 56: 7212-7221 [PMID:23957426]
CoV Replicase polyprotein 1ab/CoV RNA-dependent RNA polymerase/CoV Non-structural protein 15/CoV Non-structural protein 13/Replicase polyprotein 1ab in Severe acute respiratory syndrome coronavirus 2 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523582] [GtoPdb: 3125313932063261] [UniProtKB: P0DTD1]
ChEMBL Inhibition of N-terminal 3xFlag-His6-tagged SARS-CoV-2 papain-like protease nsp3 (1564 to 1878 residues) expressed in baculovirus infected Sf9 insect cells using Pro3 as substrate by fluorescence based assay B 5.8 pIC50 1571 nM IC50 J Med Chem (2022) 65: 7561-7580 [PMID:35620927]
CoV 3C-like (main) protease/CoV Replicase polyprotein 1a/SARS coronavirus 3C-like proteinase in Severe acute respiratory syndrome-related coronavirus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3927] [GtoPdb: 31113124] [UniProtKB: P0C6U8]
ChEMBL Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to 120 mins B 4.95 pKi 11200 nM Ki Bioorg Med Chem (2012) 20: 5928-5935 [PMID:22884354]
ChEMBL Inhibition of SARS-CoV 3CLpro expressed in Escherichia coli BL21 (DE3) using Dabcyl-KNSTLQSGLRKE-Edan as substrate after 60 mins by FRET analysis B 4.05 pIC50 89100 nM IC50 Bioorg Med Chem (2012) 20: 5928-5935 [PMID:22884354]
ChEMBL Inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate by fluorescence assay B 4.77 pIC50 17100 nM IC50 Bioorg Med Chem (2012) 20: 5928-5935 [PMID:22884354]
ChEMBL Inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate preincubated for 30 mins by fluorescence assay B 5.8 pIC50 1600 nM IC50 Bioorg Med Chem (2012) 20: 5928-5935 [PMID:22884354]
Telomerase reverse transcriptase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2916] [UniProtKB: O14746]
ChEMBL Inhibition of human recombinant telomerase activity in rabbit reticulocytes after 90 mins by telomerase assemblage gel electrophoresis B 5.3 pIC50 5000 nM IC50 Bioorg Med Chem Lett (2011) 21: 7474-7478 [PMID:22044621]
ChEMBL Inhibition of pre-assembled human recombinant telomerase activity in rabbit reticulocytes after 90 mins by gel electrophoresis method based direct primer extension assay B 6.3 pIC50 500 nM IC50 Bioorg Med Chem Lett (2011) 21: 7474-7478 [PMID:22044621]
tryptophan 2,3-dioxygenase/Tryptophan 2,3-dioxygenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2140] [GtoPdb: 2887] [UniProtKB: P48775]
ChEMBL Inhibition of recombinant human TDO assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate and measured after 15 mins B 5 pIC50 >10000 nM IC50 Eur J Med Chem (2022) 235: 114294-114294 [PMID:35358772]

ChEMBL data shown on this page come from version 34:

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]